3-(4-chlorophenyl)sulfonyl-N-(2-propoxyphenyl)propanamide

C18H20ClNO4S — CID 26898062

IUPAC3-(4-chlorophenyl)sulfonyl-N-(2-propoxyphenyl)propanamide
SMILESCCCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO4S/c1-2-12-24-17-6-4-3-5-16(17)20-18(21)11-13-25(22,23)15-9-7-14(19)8-10-15/h3-10H,2,11-13H2,1H3,(H,20,21)
InChIKeyHJPIWYLRIJVJPR-UHFFFAOYSA-N
MW381.88 g/mol
LogP3.93
Rot. Bonds8

About 3-(4-chlorophenyl)sulfonyl-N-(2-propoxyphenyl)propanamide

3-(4-chlorophenyl)sulfonyl-N-(2-propoxyphenyl)propanamide (PubChem CID 26898062) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(2-propoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(2-propoxyphenyl)propanamide
PubChem CID26898062
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(2-propoxyphenyl)propanamide
SMILESCCCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO4S/c1-2-12-24-17-6-4-3-5-16(17)20-18(21)11-13-25(22,23)15-9-7-14(19)8-10-15/h3-10H,2,11-13H2,1H3,(H,20,21)
InChIKeyHJPIWYLRIJVJPR-UHFFFAOYSA-N
XLogP3.93
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-propoxyphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(2-propoxyphenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(2-propoxyphenyl)propanamide (CID 26898062) is 3-(4-chlorophenyl)sulfonyl-N-(2-propoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(2-propoxyphenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(2-propoxyphenyl)propanamide is CCCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(2-propoxyphenyl)propanamide?
The InChIKey is HJPIWYLRIJVJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-2-12-24-17-6-4-3-5-16(17)20-18(21)11-13-25(22,23)15-9-7-14(19)8-10-15/h3-10H,2,11-13H2,1H3,(H,20,21).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(2-propoxyphenyl)propanamide?
3-(4-chlorophenyl)sulfonyl-N-(2-propoxyphenyl)propanamide has a molecular weight of 381.88 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(2-propoxyphenyl)propanamide is sourced from PubChem (CID 26898062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).